N,N-di(propan-2-yl)-2-(triphenyl-lambda5-phosphanylidene)acetamide

C26H30NOP — CID 12848579

IUPACN,N-di(propan-2-yl)-2-(triphenyl-lambda5-phosphanylidene)acetamide
SMILESCC(C)N(C(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(C)C
InChIInChI=1S/C26H30NOP/c1-21(2)27(22(3)4)26(28)20-29(23-14-8-5-9-15-23,24-16-10-6-11-17-24)25-18-12-7-13-19-25/h5-22H,1-4H3
InChIKeyILTQIXVRIHFXOM-UHFFFAOYSA-N
MW403.51 g/mol
LogP4.43
Rot. Bonds6

About N,N-di(propan-2-yl)-2-(triphenyl-lambda5-phosphanylidene)acetamide

N,N-di(propan-2-yl)-2-(triphenyl-lambda5-phosphanylidene)acetamide (PubChem CID 12848579) has the molecular formula C26H30NOP and a molecular weight of 403.51 g/mol. Its IUPAC name is N,N-di(propan-2-yl)-2-(triphenyl-lambda5-phosphanylidene)acetamide.

Molecular Properties

Compound NameN,N-di(propan-2-yl)-2-(triphenyl-lambda5-phosphanylidene)acetamide
PubChem CID12848579
Molecular FormulaC26H30NOP
Molecular Weight403.51 g/mol
Exact Mass403.21
IUPAC NameN,N-di(propan-2-yl)-2-(triphenyl-lambda5-phosphanylidene)acetamide
SMILESCC(C)N(C(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(C)C
InChIInChI=1S/C26H30NOP/c1-21(2)27(22(3)4)26(28)20-29(23-14-8-5-9-15-23,24-16-10-6-11-17-24)25-18-12-7-13-19-25/h5-22H,1-4H3
InChIKeyILTQIXVRIHFXOM-UHFFFAOYSA-N
XLogP4.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-di(propan-2-yl)-2-(triphenyl-lambda5-phosphanylidene)acetamide?
The IUPAC name of N,N-di(propan-2-yl)-2-(triphenyl-lambda5-phosphanylidene)acetamide (CID 12848579) is N,N-di(propan-2-yl)-2-(triphenyl-lambda5-phosphanylidene)acetamide.
What is the SMILES notation for N,N-di(propan-2-yl)-2-(triphenyl-lambda5-phosphanylidene)acetamide?
The canonical SMILES for N,N-di(propan-2-yl)-2-(triphenyl-lambda5-phosphanylidene)acetamide is CC(C)N(C(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(C)C.
What is the InChIKey of N,N-di(propan-2-yl)-2-(triphenyl-lambda5-phosphanylidene)acetamide?
The InChIKey is ILTQIXVRIHFXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30NOP/c1-21(2)27(22(3)4)26(28)20-29(23-14-8-5-9-15-23,24-16-10-6-11-17-24)25-18-12-7-13-19-25/h5-22H,1-4H3.
What are the key properties of N,N-di(propan-2-yl)-2-(triphenyl-lambda5-phosphanylidene)acetamide?
N,N-di(propan-2-yl)-2-(triphenyl-lambda5-phosphanylidene)acetamide has a molecular weight of 403.51 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(propan-2-yl)-2-(triphenyl-lambda5-phosphanylidene)acetamide is sourced from PubChem (CID 12848579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).